Imperial College London
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DrAnnaRegoutz

Faculty of Engineering, Department of Materials

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Contact

 

a.regoutz Website

 
 
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Location

 

2.M14Royal School of MinesSouth Kensington Campus

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Summary

 

Publications

Citation

BibTex format

@article{Ratcliff:2022:10.1002/adma.202204217,
author = {Ratcliff, LE and Oshima, T and Nippert, F and Janzen, BM and Kluth, E and Goldhahn, R and Feneberg, M and Mazzolini, P and Bierwagen, O and Wouters, C and Nofal, M and Albrecht, M and Swallow, JEN and Jones, LAH and Thakur, PK and Lee, T and Kalha, C and Schlueter, C and Veal, TD and Varley, JB and Wagner, MR and Regoutz, A},
doi = {10.1002/adma.202204217},
journal = {Advanced Materials},
title = {Tackling Disorder in γGa<sub>2</sub>O<sub>3</sub>},
url = {http://dx.doi.org/10.1002/adma.202204217},
volume = {34},
year = {2022}
}
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RIS format (EndNote, RefMan)

TY  - JOUR
AB  - <jats:title>Abstract</jats:title><jats:p>Ga<jats:sub>2</jats:sub>O<jats:sub>3</jats:sub> and its polymorphs are attracting increasing attention. The rich structural space of polymorphic oxide systems such as Ga<jats:sub>2</jats:sub>O<jats:sub>3</jats:sub> offers potential for electronic structure engineering, which is of particular interest for a range of applications, such as power electronics. γGa<jats:sub>2</jats:sub>O<jats:sub>3</jats:sub> presents a particular challenge across synthesis, characterization, and theory due to its inherent disorder and resulting complex structure–electronicstructure relationship. Here, density functional theory is used in combination with a machinelearning approach to screen nearly one million potential structures, thereby developing a robust atomistic model of the γphase. Theoretical results are compared with surface and bulk sensitive soft and hard Xray photoelectron spectroscopy, Xray absorption spectroscopy, spectroscopic ellipsometry, and photoluminescence excitation spectroscopy experiments representative of the occupied and unoccupied states of γGa<jats:sub>2</jats:sub>O<jats:sub>3</jats:sub>. The first onset of strong absorption at room temperature is found at 5.1 eV from spectroscopic ellipsometry, which agrees well with the excitation maximum at 5.17 eV obtained by photoluminescence excitation spectroscopy, where the latter shifts to 5.33 eV at 5 K. This work presents a leap forward in the treatment of complex, disordered oxides and is a crucial step toward exploring how their electronic structure can be understood in terms of local coordination and overall structure.</jats:p>
AU  - Ratcliff,LE
AU  - Oshima,T
AU  - Nippert,F
AU  - Janzen,BM
AU  - Kluth,E
AU  - Goldhahn,R
AU  - Feneberg,M
AU  - Mazzolini,P
AU  - Bierwagen,O
AU  - Wouters,C
AU  - Nofal,M
AU  - Albrecht,M
AU  - Swallow,JEN
AU  - Jones,LAH
AU  - Thakur,PK
AU  - Lee,T
AU  - Kalha,C
AU  - Schlueter,C
AU  - Veal,TD
AU  - Varley,JB
AU  - Wagner,MR
AU  - Regoutz,A
DO  - 10.1002/adma.202204217
PY  - 2022///
SN  - 0935-9648
TI  - Tackling Disorder in γGa<sub>2</sub>O<sub>3</sub>
T2  - Advanced Materials
UR  - http://dx.doi.org/10.1002/adma.202204217
VL  - 34
ER  -
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